AG00AB99

Name: PD 151746
Brand: Angene Chemical
SKU: AG00AB99

179461-52-0 | PD 151746

AG00AB99

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CAS Number	179461-52-0
Catalog Number	AG00AB99(AGN-PC-0JK6Z9)
Chemical Name	PD 151746
IUPAC Name	(Z)-3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
InChI	InChI=1S/C11H8FNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-5,13,16H,(H,14,15)/b10-3-
InChI Key	HWMQHECFXSVZGN-KMKOMSMNSA-N
MDL Number	MFCD03453564
Molecular Formula	C11H8FNO2S
Molecular Weight	237.2501
SMILES	FC1=CC=C2C(C(/C=C(C(O)=O)S)=CN2)=C1
Synonyms	3-(5-fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic acid, PD 151746, PD-151746, PD151746, pd 151746, 179461-52-0, PD-151746, 3-(5-Fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic Acid, PD151746, AC1NS4NH, (Z)-3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, SCHEMBL2322924, SCHEMBL2322928, CHEMBL3221936, AOB5055, EX-A2124, 2634AH, MFCD03453564, s7424, AKOS030526667, ZINC100026540, CS-5401, BC600461, DA-43487, HY-19749, SW219648-1, A14245, PD 151746, >=98% (HPLC), (Z)-3-(5-Fluoro-1H-indol-3-yl)-2-mercaptoacrylic acid, 181765-30-0, C11H8FNO2S, HWMQHECFXSVZGN-KMKOMSMNSA-N, CID5353866, 3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, PD 151746, 96%, cell permeable, selective, calpain inhibitor - 25MG 25mg,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	237.026g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	237.248g/mol
Monoisotopic Mass	237.026g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited